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Prediction of iontophoretic transport across the skin.

The objective of this work was to demonstrate that the efficiency of iontophoretic transport across the skin (which is measured in terms of an ion's transport number), either for drug delivery or for therapeutic drug monitoring, depends implicitly on the molar fraction of the species of interest over a wide range of experimental conditions both in vitro and in vivo. Three sets of data from the literature were assessed to establish the direct relationship between transport number and mole fraction. Linear regression between these parameters yielded slopes which correlated with the charge-carrying efficiency of the ion considered. The latter, furthermore, was proportional to the corresponding aqueous mobility and to the transport number of the ion when it is the sole species available for migration from its electrode solution (the so-called "single-carrier" situation). Finally, the principles illustrated here were equally applicable to in vitro experiments and to in vivo data obtained in a clinically relevant study (specifically, the reverse iontophoretic monitoring of lithiemia in bipolar patients). Not only does this validate an in vitro model typically used in iontophoresis research, it also demonstrates the potential of this approach to predict the feasibility of iontophoretic transport across the skin.

Antimanic Agents↗

Effect of sandblasting, grinding, polishing and glazing on the flexural strength of two pressable all-ceramic dental materials.

OBJECTIVES: During laboratory fabrication procedures and/or clinical adjustments, pressable materials: IPS Empress and Empress 2, may be ground, polished or sandblasted. These treatments may affect their strength by introducing microscopic flaws and defects. This study investigates the effect of these procedures on the mean flexural strength of these materials. METHODS: One hundred and forty disc specimens (14mmx1 mm) of IPS Empress and Empress 2 were prepared, and divided into seven groups of 20 specimens for each material. Groups were untreated, polished, polished and glazed, ground, ground and glazed, sandblasted, sandblasted and glazed. Surface roughness, mean biaxial flexural strength and Weibull modulus were appraised, and a scanning electron microscope was used to describe surface features. Statistical significance among groups of population was analysed using one-way Anova and Tukey's multiple comparison tests. RESULTS: Untreated and sandblasted groups showed significantly the highest roughness values, and polished the lowest for each material (p<0.05). Ground groups showed significantly lower roughness values than the sandblasted groups, and significantly higher roughness than the polished groups for each material (p<0.05). Polished groups for each material demonstrated significantly the highest mean flexural strength values (p<0.05). No significant difference in the mean strength values was found between untreated, sandblasted and ground groups for each material (p>0.05). Heat treatment had no effect on roughness or strength values of all treated groups of both materials. The Weibull modulus values for both materials varied with different treatments. They showed higher values for polished and untreated groups, and lower values for ground and sandblasted groups. CONCLUSIONS: Surface roughness may not be the only feature that determines strength. Other issues such as porosity, microstructural residual stresses, surface and bulk defects may also be pertinent.

Aluminum Silicates↗

Effect of an antibacterial adhesive on the bond strength of three different luting resin composites.

OBJECTIVES: Effect of a dentin adhesive system containing antibacterial monomer-MDPB (Clearfil Protect Bond) on the shear bond strength of all-ceramic-IPS Empress 2 restorations luted with three different dual-polymerizing systems (Variolink 2, RelyX ARC and Panavia F 2.0) to dentin was investigated. METHODS: One hundred and eight all-ceramic discs (2 x 3mm; IPS Empress 2) were fabricated and ultrasonically cleaned. The buccal surfaces of 108 non-carious extracted human premolars were flattened to expose dentin and subsequently polished with 600-grit wet silicon carbide paper. Three dual-polymerizing luting systems had test groups and control groups consisting of 18 samples each. For the test groups Clearfil Protect Bond was applied to the exposed dentin surfaces. Control groups received the original bonding procedures of each adhesive system. After the all-ceramic samples were luted to the teeth, thermocycling was performed 5000 times. Shear bond strengths were tested using Shimadzu Universal Testing Machine until failure. Analysis of fractured dentin surfaces were performed using Optical Microscope at x10 and x1000 magnifications and the images were analyzed with Image Analyzer. Data was analyzed with one-way ANOVA and Bonferroni test at a significance level of p<0.05. RESULTS: Mean shear bond strength data of the groups in MPa were; Variolink: 20.45+/-4.75, Variolink+Clearfil Protect Bond:29.32+/-2.37, RelyX ARC:18.82+/-3.19, RelyX ARC+Clearfil Protect Bond:25.58+/-4.05, Panavia F 2.0:17.11+/-2.98, Panavia F 2.0+Clearfil Protect Bond:24.40+/-7.46. Application of the antibacterial adhesive increased the shear bond strengths of all three dual-polymerizing systems to dentin (p=0.00). The surface analysis showed that most of the specimens showed the adhesive failure mode between the dentin and the composite luting agent interface. CONCLUSION: The antibacterial adhesive system Clearfil Protect Bond can be safely used to prevent the potential risk of complications resulting from bacterial activity regardless of affecting the bond strength of IPS Empress 2 restorations luted with the dual-polimerizing systems used in this study.

Anti-Bacterial Agents↗

The removal and recovery of Cr(VI) by Li/Al layered double hydroxide (LDH).

Hexavalent Cr has been identified as one of the toxic metals commonly present in industrial effluents. Among the treatment techniques developed for removing Cr(VI) from waste waters, sorption is most commonly applied, due to its simplicity and efficiency. However, few adsorbents can be recycled and reused cost-effectively. In this study, the removal and recovery of Cr(VI) from water using Li/Al LDH was investigated. The removal of Cr(VI) by Li/Al LDH was evaluated in a batch mode. The results demonstrated that Cr(VI) adsorption onto Li/Al LDH occurs by replacing the Cl(-) that originally exists in the interlayer of the adsorbent. The degree of Cr(VI) adsorption observed for Li/Al LDH was relatively high and the process occurred rapidly; however, a portion of adsorbed Cr(VI) was gradually desorbed, due to the Li de-intercalation of Li/Al LDH. Lithium de-intercalation from Li/Al LDH with interlayer Cl(-) and interlayer Cr(VI) follows the first order kinetics and has the activation energies of 76.6 and 41.5 kJ mol(-1), respectively. The properties of thermal unstability and the high adsorption capacity of Li/Al LDH may lead to the development of an innovative technique for the removal of Cr(VI) from Cr(VI)-containing wastewater. That is, Li/Al LDH may be used as an effective adsorbent for the adsorption of Cr(VI) in an ambient environment. Following the adsorptive process, the adsorbed Cr(VI) may be released, using heated water to treat the Cr(VI)-containing Li/Al LDH particles. Through this hydrothermal treatment of the used adsorbent, Cr(VI) can be recovered and the solid product (gibbsite) can be recycled for further use.

Aluminum Hydroxide↗

Optimum parameters of TLD100 powder used for radiotherapy beams calibration check.

External audit of the absorbed dose determination from radiotherapy machines is performed using Lithium fluoride (LiF) TLD-100. Optimal parameters needed to obtain highly accurate dosage from LiF powder was investigated, including the setup of the Harshaw 4000 reader. A linear correspondence between the thermoluminescent signal and the mass of the powder was observed, demonstrating that the dose can be evaluated with small samples of powder. The reproducibility of the thermoluminescence dosimeter (TLD) readings obtained with up to 10 samples from 1 capsule containing 160 mg of powder was around 1.5% (1 standard deviation [SD]). The time required for the manual evaluation of TLDs can be improved by 3 readings without loss of accuracy. Better reproducibility is achieved if the capsules are evaluated 7 days after irradiation using a nitrogen flow of 300 cc/min.

Calibration↗

Surface dose measurement using TLD powder extrapolation.

Surface/near-surface dose measurements in therapeutic x-ray beams are important in determining the dose to the dermal and epidermal skin layers during radiation treatment. Accurate determination of the surface dose is a difficult but important task for proper treatment of patients. A new method of measuring surface dose in phantom through extrapolation of readings from various thicknesses of thermoluminescent dosimeter (TLD) powder has been developed and investigated. A device was designed, built, and tested that provides TLD powder thickness variation to a minimum thickness of 0.125 mm. Variations of the technique have been evaluated to optimize precision with consideration of procedural ease. Results of this study indicate that dose measurements (relative to D(max)) in regions of steep dose gradient in the beam axis direction are possible with a precision (2 standard deviations [SDs]) as good as +/- 1.2% using the technique. The dosimeter was developed and evaluated using variation to the experimental method. A clinically practical procedure was determined, resulting in measured surface dose of 20.4 +/- 2% of the D(max) dose for a 10 x 10 cm(2), 80-cm source-to-surface distance (SSD), Theratron 780 Cobalt-60 ((60)C) beam. Results obtained with TLD powder extrapolation compare favorably to other methods presented in the literature. The TLD powder extrapolation tool has been used clinically at the Northwestern Ontario Regional Cancer Centre (NWORCC) to measure surface dose effects under a number of conditions. Results from these measurements are reported. The method appears to be a simple and economical tool for surface dose measurement, particularly for facilities with TLD powder measurement capabilities.

Fluorides↗

Cerebellar syndrome in a patient with pneumonia under lithium treatment: A case report.

We report the case of a 31-year-old man with bipolar disorder who was on a combination therapy of lithium, lamotrigine and escitalopram. Serum lithium level was within therapeutic range. Cerebellar symptoms such as dysarthria, ataxia, and dyskinesia developed in the patient following the pneumonia. Cerebellar syndrome was most likely due to lithium neurotoxicity, which was associated with additional factors such as acute febrile pneumonia, fever and hyponatremia. The reported case suggests that infections may increase the risk of cerebellar toxicity of lithium, even in the therapeutic doses.

Adult↗

In vitro marginal fit of three all-ceramic crown systems.

STATEMENT OF PROBLEM: Studies on marginal discrepancies of single restorations using various systems and materials have resulted in statistical inferences that are ambiguous because of small sample sizes and limited numbers of measurements per specimen. PURPOSE: The purpose of this study was to compare the marginal adaptation of single anterior restorations made using different systems. MATERIAL AND METHODS: The in vitro marginal discrepancies of 3 different all-ceramic crown systems (Celay In-Ceram, conventional In-Ceram, and IPS Empress 2 layering technique), and a control group of metal ceramic restorations were evaluated and compared by measuring the gap dimension between the crowns and the prepared tooth at the marginal opening. The crowns were made for 1 extracted maxillary central incisor prepared with a 1-mm shoulder margin and 6-degree tapered walls by milling. Thirty crowns per system were fabricated. Crown measurements were recorded with an optical microscope, with an accuracy of +/-0.1 microm, at 50 points spaced approximately 400 microm along the circumferential margin. The criterion of 120 microm was used as the maximum clinically acceptable marginal gap. Mean gap dimensions and standard deviations were calculated for marginal opening. The data were analyzed with a 1-way analysis of variance (alpha=.05). RESULTS: Mean gap dimensions and standard deviations at the marginal opening for the incisor crowns were 87 +/- 34 microm for control, 83 +/- 33 microm for Celay In-Ceram, 112 +/- 55 microm for conventional In-Ceram, and 46 +/- 16 microm for the IPS Empress 2 layering technique. Significant differences were found among the crown groups (P<.05). Compared with the control group, the IPS Empress 2 group had significantly smaller marginal discrepancies (P<.05), and the conventional In-Ceram group exhibited significantly greater marginal discrepancies (P<.05). There was no significant difference between the Celay In-Ceram and the control group. CONCLUSION: Within the limitations of this study, the marginal discrepancies were all within the clinically acceptable standard set at 120 microm. However, the IPS Empress 2 system showed the smallest and most homogeneous gap dimension, whereas the conventional In-Ceram system presented the largest and more variable gap dimension compared with the metal ceramic (control) restoration.

Aluminum Oxide↗

Fracture resistance of three all-ceramic restorative systems for posterior applications.

STATEMENT OF PROBLEM: The failure loads of all-ceramic crowns are influenced not only by the fracture resistance of the component materials but also by prosthesis geometry and size and location of flaws, thus there is a need for a study that compares the fracture resistance of all-ceramic systems using a simple and reproducible specimen geometry that includes flaws occurring at material interfaces. PURPOSE: The research aim was to compare the in vitro fracture resistance and origin of failure of simulated first molar crowns fabricated using 3 all-ceramic systems, IPS Empress 2, Procera AllCeram, and In-Ceram Zirconia. MATERIAL AND METHODS: Twenty axisymmetric crowns of each system were fabricated to fit a preparation with 1.5- to 2.0-mm occlusal reduction. The center of the occlusal surface on each of 15 specimens per ceramic system was axially loaded to fracture in a universal testing machine, and the maximum load (N) was recorded. Fractured surfaces were examined using optical and electron microscopy to determine the most prevalent origin of failure in each ceramic system. Five crowns per system were sectioned, and thickness of the luting agent, core material, and veneer porcelain layers were measured. The 95% confidence intervals of the Weibull modulus and characteristic failure load were compared between the 3 systems. Two-way multivariate analysis of variance was used to analyze the thickness of the luting agent, ceramic core, and veneer porcelain layers (alpha=.05). RESULTS: The 95% confidence intervals for Weibull modulus were 1.8 to 2.3 (IPS Empress 2), 2.8 to 3.6 (Procera AllCeram), and 3.9 to 4.9 (In-Ceram Zirconia). The 95% confidence intervals for characteristic failure load were 771 to 1115 N (IPS Empress 2), 859 to 1086 N (Procera AllCeram), and 998 to 1183 (In-Ceram Zirconia). The origin of failure was most commonly found at the interface between the ceramic core and veneer porcelain for IPS Empress 2 and between the ceramic core and luting agent layer for the other systems. CONCLUSIONS: There was no significant difference in fracture resistance; however, there was a significant difference in failure origin between the all-ceramic systems studied.

Aluminum Oxide↗

Vertical marginal discrepancy of ceramic copings with different ceramic materials, finish lines, and luting agents: an in vitro evaluation.

STATEMENT OF PROBLEM: Prosthetic restorations that fit poorly may affect periodontal health and occlusion. Studies that have evaluated the accuracy of fit of ceramic restorations before and after cementation assessed primarily intracoronal restorations. PURPOSE: This in vitro study evaluated the effect of different finish lines, ceramic manufacturing techniques, and luting agents on the vertical discrepancy of ceramic copings. MATERIAL AND METHODS: Two stainless steel molars were prepared for complete crowns with 2 different finish lines (heavy chamfer and rounded shoulder); each molar was duplicated to fabricate 90 copings. A total of 180 copings generated 18 groups (n=10 for each finish line-coping material-luting agent combination). Luting agents tested included zinc phosphate, resin-modified glass ionomer (Fuji Plus), and resin composite cements (Panavia F). A metal frame was developed on which to screw the stainless steel model and a ceramic coping; the distance (microm) between 2 predetermined points was measured before and after cementation by a profile projector under a torquing force. A 4-way ANOVA with repeated measurements was performed to assess the influence of each factor in the vertical marginal discrepancy: 3 between-coping factors (finish line-coping material-luting agent) and 1 within-coping factor (before and after cementation) (alpha=.05). RESULTS: Procera copings presented the lowest mean values ( P <.05) of vertical marginal discrepancy before and after cementation (25/44 microm) when compared to Empress 2 (68/110 microm) and InCeram Alumina copings (57/117 microm), regardless of any combinations among all finish lines and luting agents tested. CONCLUSION: Considering each factor separately, the ceramic manufacturing technique appeared to be the most important factor tested for the definitive vertical discrepancy of all-ceramic copings, with lower mean values for Procera copings.

Aluminum Oxide↗

In vitro fracture resistance of posterior metal-ceramic and all-ceramic inlay-retained resin-bonded fixed partial dentures.

STATEMENT OF PROBLEM: Inlay-retained resin-bonded fixed partial dentures (RBFPDs) are conservative prosthetic restorations; however, their resistance to fracture is not clear. PURPOSE: The purpose of this study was to compare fracture loads of posterior complete coverage metal-ceramic restorations with all-ceramic inlay-retained RBFPDs. MATERIAL AND METHODS: Thirty-two posterior ceramic RBFPD restorations were divided into 4 groups (n=8): (1) Complete metal-ceramic fixed partial dentures (MC-FPDs) fabricated of Ni-Cr-based alloy (Wirolloy) and veneered with a ceramic (IPS d.SIGN) as the control group; (2) inlay-retained metal-ceramic (MC RBFPDs) with the same materials as the control; (3) inlay-retained lithium disilicate (LD) glass-ceramic (IPS Empress 2) RBFPDs; and (4) inlay-retained zirconia-based (Z) ceramic (Cercon) RBFPDs. Control specimens were prepared to receive conventional complete MC-FPDs designed to include a 1.3-mm-circumferential, 90-degree flat shoulder with rounded angles. Inlay-retained RBFPD specimens were prepared with 2-mm occlusal reduction but without bevels at the occlusal or gingival margins. Specimens were loaded and fracture loads (N) measured at fracture with a universal testing machine at a crosshead speed of 1.0 mm/min and 250 kgf load cell. Data were analyzed with 1-way ANOVA and Duncan test (alpha=.001). RESULTS: Fracture loads (mean +/- SD) were greatest for control specimens (1318.43 +/- 211.00 N) and Z-RBFPD (1247.70 +/- 262.51 N) specimens as compared to MC-RBFPD or LD-RBFPD (P < .001). MC-RBFPD exhibited the next highest fracture loads (958.01 +/- 194.29 N), and LD-RBFPD exhibited the significantly lowest values (303.23 +/- 92.54 N) of the materials tested (P < .001). CONCLUSION: Inlay-retained zirconia-based ceramic RBFPDs demonstrated the greatest fracture resistance among all inlay-retained restorations tested.

Ceramics↗

Influence of ceramic thickness and polymerization mode of a resin luting agent on early bond strength and durability with a lithium disilicate-based ceramic system.

STATEMENT OF PROBLEM: Attenuation of polymerization light energy by translucent all-ceramic materials may result in insufficient polymerization of underlying resin luting agents and inadequate early bond strength and durability. There is little information regarding the selection of an appropriate polymerization mode for cementing translucent all-ceramic restorations. PURPOSE: The purpose of this study was to evaluate the influence of ceramic thickness and polymerization mode on the early bond strength and bond durability of a lithium disilicate-based ceramic system. MATERIAL AND METHODS: The occlusal surfaces of 120 extracted, intact, human third molars were sectioned to expose a flattened area of dentin. The surface was etched with 32% phosphoric acid, and a single-step adhesive (One-Step) was applied to the etched dentin surfaces. Ceramic specimens (Empress 2), 6 mm in diameter and 1 mm, 1.5 mm, or 2 mm thick (n=40 per group), were fabricated using fluoropolymer resin matrixes. Each specimen was ground flat. Following hydrofluoric acid etching and silane treatment, ceramic discs of each thickness were further divided into 2 groups (n=20 per group) and bonded to the dentin surfaces with a dual-polymerized resin luting agent (Illusion), either with a catalyst (dual polymerization) or without a catalyst (light polymerization). A shear bond test was performed after 10 minutes (n=10) or after 24 hours following 1000 thermal cycles between 5 degrees C and 55 degrees C and a dwell time of 30 seconds (n=10). Debonded dentin surfaces were examined with SEM. The data were analyzed with 3-way analysis of variance (ANOVA) (alpha=.05). RESULTS: The shear bond strengths ranged between 13.2 +/- 4.1 MPa and 15.9 +/- 2.0 MPa. Three-way ANOVA revealed that ceramic thickness, polymerization mode, storage time, or combinations of these parameters did not influence shear bond strength. The location of failure for all specimens was adhesive, between the dentin surface and bonding agent. CONCLUSION: Both light polymerization and dual polymerization provided similar early shear bond strengths for the lithium disilicate-based ceramic system (Empress 2). The bond strength was not dependent on the thickness of the ceramic material tested. Durability of the bond was similar for both of the polymerization modes.

Analysis of Variance↗

The influence of ceramic surface treatments on the tensile bond strength of composite resin to all-ceramic coping materials.

STATEMENT OF PROBLEM: An increasing demand for esthetic restorations has resulted in the development of new ceramic systems, but the fracture of veneering ceramics still remains the primary cause of failure. Porcelain repair frequently involves replacement with composite resin, but the bond strength between composite resin and all-ceramic coping materials has not been studied extensively. PURPOSE: The purpose of this study was to evaluate the tensile bond strength of composite resin to 3 different all-ceramic coping materials with various surface treatments. MATERIAL AND METHODS: Thirty specimens (10 x 10 x 2 mm) each of lithium-disilicate ceramic (IPS Empress2 [E]), alumina ceramic (In-Ceram Alumina [I]), and zirconia ceramic (Zi-Ceram [Z]) were fabricated. Feldspathic ceramic (Duceram Plus [F]) was used as the control. Each material was divided into 3 groups (n=10), and 3 different surface treatments were performed: airborne-particle abrasion with 50-microm alumina particles (Ab); airborne-particle abrasion with 50-microm alumina particles and acid etching with 4% hydrofluoric acid (Ae); or airborne-particle abrasion with 30-microm alumina particles modified with silica acid (Si). After surface treatment of ceramic specimens, composite resin cylinders (5-mm diameter x 10-mm height) were light polymerized onto the ceramic specimens. Each specimen was subjected to a tensile load at a crosshead speed of 2 mm/min until fracture. The fracture sites were examined with scanning electron microscopy to determine the location of failure during debonding and to examine the surface treatment effects. Two-way analysis of variance and the Duncan multiple comparison test (alpha=.05) were used to analyze the bond strength values. RESULTS: There were significant differences in the bond strengths for both ceramics (P<.001) and surface treatments (P<.001) and the interaction (P<.001). The Duncan analysis yielded the following statistical subsets of the bond strength values: (FAe, ISi, EAe, ZSi) > FAb > (FSi, EAb, ESi) (IAb, IAe) > (ZAe, ZAb). The results illustrate no differences within the parentheses but statistically significant differences among the groups. CONCLUSION: Alumina and zirconia ceramic specimens treated with a silica coating technique, and lithium disilicate ceramic specimens treated with airborne-particle abrasion and acid etching yielded the highest tensile bond strength values to a composite resin for the materials tested.

Acid Etching, Dental↗

LiF:Mg,Ti (MTT) TL detectors optimised for high-LET radiation dosimetry.

The properties of LiF:Mg,Ti (distributed as, e.g., TLD-100 or MTS-N), the most frequently used thermoluminescent detector, have been optimised for measurements of sparsely ionizing radiation (gamma rays), typically encountered in radiation protection or clinical dosimetry. However, these detectors need also to be applied in conditions of mixed-field dosimetry with a high-LET component, such as those encountered in heavy ion beams or in space. At the Institute of Nuclear Physics in Kraków a new type of LiF:Mg,Ti detector (named MTT) has been recently developed through modification of its dopant composition. This composition is intended to increase the detection efficiency after a dose of high-LET radiation. The concentration of dopants in the MTT material is: CMg=50 ppm, and CTi=120 ppm, i.e. about a three times less of magnesium and about 10 times more of titanium content, compared with the standard MTS-N. The MTT TL detectors feature an increased relative efficiency to high-LET radiation, which for 5 MeV alpha-particles is about twice that of standard LiF:Mg,Ti. The response of MTT detectors has been studied in charged particle beams of the HIMAC accelerator in Chiba, Japan and in Dubna, Russia. The main foreseen application of MTT detectors are dose measurements in space. The dose after high-LET exposure can be estimated from the difference of the response of MTS and MTT detectors. In the near future MTT detectors will be applied in the "Matroshka" experiment. Within this experiment a specially constructed human phantom will be exposed in free space (outside the International Space Station) for 1 year. The phantom will incorporate a few thousand measuring points enabling radiation doses to particular organs to be determined.

Extraterrestrial Environment↗

Dosimetric properties of the newly developed KLT-300 (LiF:Mg,Cu,Na,Si) TL detector.

The dosimetric properties of the newly developed KLT-300 (KAERI LiF:Mg,Cu,Na,Si TL detector) in KAERI (Korea Atomic Energy Research Institute) were investigated. The sensitivity of the TL detector was about 30 times higher than that of the TLD-100 by light integration. In the study of the dose linearity of the detector, the dose response was very linear up to 10 Gy and a sublinear response was observed at higher doses. The energy response of the detector was studied for photon energies from 20 to 662 keV. The results show that a maximum response of 1.004 at 53 keV and a minimum response of 0.825 at 20 keV were observed. The reproducibility study for the TL detector was also carried out. The coefficients of variation for each detector separately did not exceed 0.016, and for all the 10 detectors collectively it was 0.0054. IEC Standard requires that the coefficient of variation shall not exceed 0.075. So, the reproducibility of this new TL detector sufficiently satisfied the IEC requirements. A detection threshold of the detector was investigated and found to be 70 nGy by Harshaw 4500 TLD Reader.

Copper↗

Theoretical studies of the local structure for the trigonal Ti(3+) center in LiF crystal.

The local structure of the trigonal Ti(3+) center in LiF crystal is theoretically investigated by using the perturbation formulas of the anisotropic g factors and g(//) and g(/_) for a 3d(1) ion in trigonally distorted octahedra based on the cluster approach. From the studies on the basis of various possible structure models, the local structure of the trigonal Ti(3+) center may be characterized as [TiF(3)O(3)](6-) cluster (or model I). In this model, the impurity Ti(3+) is expected to substitute for the host Li(+) ion and shift away from its regular lattice site along the [111] (or C(3)) axis by about 0.19 A due to the strong electrostatic attraction of the O(2-) triangle replacing the original F(-) triangle. The magnitude of the above displacement obtained in this work is comparable with that ( approximately 0.2-0.3A) given by ENDOR experiment. Moreover, the cubic field parameter Dq (approximately 1497 cm(-1)) based on the above structure model is also in agreement with that (approximately 1500 cm(-1)) obtained from the experimental optical spectra of the studied system. The theoretical investigations of the local structure in this work may be useful to understand optical properties of Ti-doped LiF.

Electron Spin Resonance Spectroscopy↗

Spectroscopic studies on the cation-anion, cation-solvent and anion-solvent interactions in the LiCF3SO3/acetamide complex system.

A molten salt electrolyte composed of lithium triflate (LiCF3SO3) and acetamide (CH3CONH2) has been prepared and characterized by Raman, IR spectroscopy and ac impedance. It is found that acetamide molecule not only complexes with the Li+ cation but also interacts with the CF3SO3- anion via hydrogen bonding due to its two polar groups (C=O group and NH2 group) capable of coordinating with cations and anions, respectively. Cation-anion interaction is strengthened while cation-solvent and anion-solvent interactions are weakened with the increases of salt concentration and temperature in the LiCF3SO3/acetamide complex. The ionic conductivities of the LiCF3SO3/acetamide complex with different molar ratios depend strongly on the ionic association in the complex system.

Acetamides↗